SCHEMBL1047744

SCHEMBL1047744

COc1ccc(Cn2ccc(C(=O)N(C)OC)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 8/20 0.55
CACNA1H O95180 8/20 0.55
CACNA1I Q9P0X4 8/20 0.55
ALDH1A1 P00352 3/20 0.43
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
TSPO P30536 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP19A1 P11511 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3704214 0.82 CACNA1G (0.57) CACNA1GCACNA1HCACNA1IALDH1A1KDM1A
SCHEMBL1602722 0.82 MEN1 (0.52) ALDH1A1HDAC1KMT2AMEN1NPC1
SCHEMBL1906943 0.81 KMT2A (0.60) CACNA1GCACNA1HCACNA1IALDH1A1KDM1A
SCHEMBL31220195 0.81 CACNA1G (0.53) CACNA1GCACNA1HCACNA1IALDH1A1KDM1A
SCHEMBL29705220 0.79 CACNA1G (0.54) CACNA1GCACNA1HCACNA1IALDH1A1KDM1A
SCHEMBL8865422 0.78 CACNA1G (0.49) CACNA1GCACNA1HCACNA1IALDH1A1KDM1A
SCHEMBL365784 0.78 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IALDH1A1HDAC1
SCHEMBL370679 0.78 L3MBTL1 (0.44) CACNA1GCACNA1HCACNA1IALDH1A1HDAC1
SCHEMBL369606 0.77 L3MBTL1 (0.54) CACNA1GCACNA1HCACNA1ISMN1; SMN2KMT2A
SCHEMBL370299 0.77 AADAT (0.43) CACNA1GCACNA1HCACNA1IALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513252-B2 Pyrazole derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-08-20 US disclosed
EP-2456769-B1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-06-26 EP disclosed
EP-2456769-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2012-05-30 EP disclosed
US-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NISSAN MOTOR CO., LTD. (JP) 2012-05-17 US disclosed
WO-2011010222-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-01-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM1, GRM4, GRM3 CACNA1G 290/4885CACNA1H 309/4885CACNA1I 203/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.